(2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal

C11H18O2 — CID 15045773

IUPAC(2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal
SMILESCOC/C=C(\C)CC/C=C(\C)C=O
InChIInChI=1S/C11H18O2/c1-10(7-8-13-3)5-4-6-11(2)9-12/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6+
InChIKeyOTBCEAAHHCRUFU-NXAIOARDSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds6

About (2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal

(2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal (PubChem CID 15045773) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal.

Molecular Properties

Compound Name(2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal
PubChem CID15045773
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal
SMILESCOC/C=C(\C)CC/C=C(\C)C=O
InChIInChI=1S/C11H18O2/c1-10(7-8-13-3)5-4-6-11(2)9-12/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6+
InChIKeyOTBCEAAHHCRUFU-NXAIOARDSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Geranyl tiglate
CID 5367785
(6E)-8-Oxogeranial
CID 11073781
(6E)-8-Oxogeraniol
CID 11412603
Geranyl Angelate
CID 38988903
2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,Z)-
CID 20836217
(E)-3,7-Dimethyl-2,6-octadienyl 2-methylisocrotonate
CID 16205469
(1Z,3R,5Z,9E)-3-methoxy-5,9-dimethylcyclododeca-1,5,9-triene-1-carbaldehyde
CID 15870762
Madolin L
CID 10848180
8-Hydroxy-2,6-dimethylocta-2,6-dienal
CID 25201269
3,7-Dimethyl-2,6-octadien-1-yl 2-methyl-2-propenoate
CID 3023389
3-Methoxy-5,9-dimethylcyclododeca-1,5,9-triene-1-carbaldehyde
CID 85248008
Madolin M
CID 91864496

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal?
The IUPAC name of (2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal (CID 15045773) is (2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal.
What is the SMILES notation for (2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal?
The canonical SMILES for (2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal is COC/C=C(\C)CC/C=C(\C)C=O.
What is the InChIKey of (2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal?
The InChIKey is OTBCEAAHHCRUFU-NXAIOARDSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(7-8-13-3)5-4-6-11(2)9-12/h6-7,9H,4-5,8H2,1-3H3/b10-7+,11-6+.
What are the key properties of (2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal?
(2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal has a molecular weight of 182.26 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal is sourced from PubChem (CID 15045773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).